2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone

C11H8Cl2N2OS — CID 107311606

IUPAC2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-6-11(17-15-14-6)9(16)5-7-3-2-4-8(12)10(7)13/h2-4H,5H2,1H3
InChIKeyFHTHIUXTQFFWHR-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.58
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone

2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 107311606) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID107311606
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-6-11(17-15-14-6)9(16)5-7-3-2-4-8(12)10(7)13/h2-4H,5H2,1H3
InChIKeyFHTHIUXTQFFWHR-UHFFFAOYSA-N
XLogP3.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105079495
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4055872
1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062722
3-chloroaniline;4-methylthiadiazole-5-carboxylic acid
CID 70613775
2-(2,3-dichlorophenyl)-1-(4-ethylphenyl)ethanone
CID 107307811
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
[2-(4-chlorophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576813
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone (CID 107311606) is 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone is Cc1nnsc1C(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is FHTHIUXTQFFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6-11(17-15-14-6)9(16)5-7-3-2-4-8(12)10(7)13/h2-4H,5H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 287.17 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 107311606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).